N-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-7-carboxamide

C22H23N3O2 — CID 166360813

IUPACN-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-7-carboxamide
SMILESO=C(NCC(c1cccc(O)c1)N1CCCC1)c1ccc2cccnc2c1
InChIInChI=1S/C22H23N3O2/c26-19-7-3-5-17(13-19)21(25-11-1-2-12-25)15-24-22(27)18-9-8-16-6-4-10-23-20(16)14-18/h3-10,13-14,21,26H,1-2,11-12,15H2,(H,24,27)
InChIKeyBDTHCLFOJUNEHH-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.51
Rot. Bonds5

About N-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-7-carboxamide

N-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-7-carboxamide (PubChem CID 166360813) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-7-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-7-carboxamide
PubChem CID166360813
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-7-carboxamide
SMILESO=C(NCC(c1cccc(O)c1)N1CCCC1)c1ccc2cccnc2c1
InChIInChI=1S/C22H23N3O2/c26-19-7-3-5-17(13-19)21(25-11-1-2-12-25)15-24-22(27)18-9-8-16-6-4-10-23-20(16)14-18/h3-10,13-14,21,26H,1-2,11-12,15H2,(H,24,27)
InChIKeyBDTHCLFOJUNEHH-UHFFFAOYSA-N
XLogP3.51
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]quinoline-6-carboxamide
CID 4249333
N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-8-carboxamide
CID 30695715
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-fluoropyridine-2-carboxamide
CID 167930365
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3,4-dimethylbenzamide
CID 112506811
2-(difluoromethyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3H-benzimidazole-5-carboxamide
CID 56561284
3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51710589
N-(2-aminoethyl)quinoline-7-carboxamide
CID 142187430
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 112506809
4-cyano-N-[(2S)-2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide
CID 97220649
3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 45155327
3-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43842823
3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 110357424

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-7-carboxamide?
The IUPAC name of N-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-7-carboxamide (CID 166360813) is N-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-7-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-7-carboxamide?
The canonical SMILES for N-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-7-carboxamide is O=C(NCC(c1cccc(O)c1)N1CCCC1)c1ccc2cccnc2c1.
What is the InChIKey of N-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-7-carboxamide?
The InChIKey is BDTHCLFOJUNEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-19-7-3-5-17(13-19)21(25-11-1-2-12-25)15-24-22(27)18-9-8-16-6-4-10-23-20(16)14-18/h3-10,13-14,21,26H,1-2,11-12,15H2,(H,24,27).
What are the key properties of N-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-7-carboxamide?
N-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-7-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-7-carboxamide is sourced from PubChem (CID 166360813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).